"nofit" was fixed in ptraj in amber8 (if you think that's not the case,
write me a detailed e-mail with problem description), amber7 version was
broken...
-Viktor
Oliver Hucke wrote:
>
>
> Carlos Simmerling wrote:
>
>> I think nofit is broken, so overlap of 1 residue will always be small.
>>
>
> So, "nofit" should not be used at all? Is this valid for ptraj of amber8?
>
> Thanks,
> Oliver
>
> ________________________________________________________________
>
> Oliver Hucke, Dr.
> Biomolecular Structure Center Health Sciences Building - K418C
> Dept. of Biochemistry 1959 NE Pacific St.
> University of Washington phone: (206) 685 7046
> Box 357742 fax : (206) 685 7002
> Seattle, WA 98195-7742 email: ohucke.u.washington.edu
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Received on Sun Oct 31 2004 - 18:53:00 PST
